12-bromo-octadecanoic acid (CHEBI:230599)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	12-bromo-octadecanoic acid

ChEBI ID	CHEBI:230599

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H35BrO2

Net Charge

Average Mass

363.380

Monoisotopic Mass

362.18204

InChI

InChI=1S/C18H35BrO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)

InChIKey

OOXDKNSCVLIEIN-UHFFFAOYSA-N

SMILES

BrC(CCCCCCCCCCC(O)=O)CCCCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	12-bromo-octadecanoic acid (CHEBI:230599) is a organic molecular entity (CHEBI:50860)

IUPAC Name

12-bromooctadecanoic acid